N-fluoro-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine

C10H18FNO2 — CID 88935043

IUPACN-fluoro-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine
SMILESC=CCOCCN(F)CCOCC=C
InChIInChI=1S/C10H18FNO2/c1-3-7-13-9-5-12(11)6-10-14-8-4-2/h3-4H,1-2,5-10H2
InChIKeyPCJCMEONJYEPAI-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.58
Rot. Bonds10

About N-fluoro-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine

N-fluoro-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine (PubChem CID 88935043) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is N-fluoro-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine.

Molecular Properties

Compound NameN-fluoro-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine
PubChem CID88935043
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC NameN-fluoro-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine
SMILESC=CCOCCN(F)CCOCC=C
InChIInChI=1S/C10H18FNO2/c1-3-7-13-9-5-12(11)6-10-14-8-4-2/h3-4H,1-2,5-10H2
InChIKeyPCJCMEONJYEPAI-UHFFFAOYSA-N
XLogP1.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N,N-Diethyl-2-[(prop-2-en-1-yl)oxy]ethan-1-amine
CID 261282
3-Bromopropyl-fluoro-bis(2-prop-2-enoxyethyl)azanium
CID 89876521
Trimethyl(2-prop-2-enyloxyethyl)amine
CID 2317160
4-(2-Prop-2-enoxyethyl)morpholine
CID 12459084
2-[2-Hydroxyethyl(2-prop-2-enoxyethyl)amino]ethanol
CID 14533861
N-methyl-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine
CID 22899058
(9Z)-4-methyl-1,7-dioxa-4-azacycloundec-9-ene
CID 22899063
N-methyl-N-[2-(2-methylpropoxy)ethyl]-2-prop-2-enoxyethanamine
CID 58451785
N,N-bis(2-prop-2-enoxyethyl)butan-1-amine
CID 59017015
Ethyl-tris(2-prop-2-enoxyethyl)azanium
CID 59518623
Methyl-tris(2-prop-2-enoxyethyl)azanium
CID 87091987
Dimethyl-bis(2-prop-2-enoxyethyl)azanium
CID 87092033

Frequently Asked Questions

What is the IUPAC name of N-fluoro-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine?
The IUPAC name of N-fluoro-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine (CID 88935043) is N-fluoro-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine.
What is the SMILES notation for N-fluoro-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine?
The canonical SMILES for N-fluoro-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine is C=CCOCCN(F)CCOCC=C.
What is the InChIKey of N-fluoro-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine?
The InChIKey is PCJCMEONJYEPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-3-7-13-9-5-12(11)6-10-14-8-4-2/h3-4H,1-2,5-10H2.
What are the key properties of N-fluoro-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine?
N-fluoro-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine has a molecular weight of 203.26 g/mol, XLogP of 1.58, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-2-prop-2-enoxy-N-(2-prop-2-enoxyethyl)ethanamine is sourced from PubChem (CID 88935043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).